SCHEMBL29231179

SCHEMBL29231179

Cc1coc(CC(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C3CC3)c(F)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 14/20 0.35
▸ XIAP P98170 4/20 0.33
▸ BIRC3 Q13489 4/20 0.33
▸ BIRC2 Q13490 4/20 0.33
▸ PSMB9 P28065 1/20 0.33
▸ BIRC8 Q96P09 1/20 0.33
▸ ITGA4 P13612 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24665950 1.00 CFD (0.35) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL30341314 1.00 CFD (0.35) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL29820293 1.00 CFD (0.35) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL29231017 0.93 CFD (0.37) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL24666875 0.93 CFD (0.37) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL29820193 0.93 CFD (0.37) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL30341188 0.93 CFD (0.37) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL30341259 0.92 CFD (0.34) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL29820322 0.92 CFD (0.34) CFDXIAPBIRC3BIRC2PSMB9
SCHEMBL29230954 0.92 CFD (0.34) CFDXIAPBIRC3BIRC2PSMB9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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